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Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach

In the Asian region, Helicobacter pylori infects about 80% populations, which is most leading cause of peptic ulcers, and it is an asymptomatic infection. Studies reported that the particular bacteria carry specific virulence factors that leads to severe complications. These virulence factors can be...

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Autores principales: MubarakAli, Davoodbasha, Akshaya, Thirusangu, Sathya, Raghunathan, Irfan, Navabshan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer US 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8581125/
https://www.ncbi.nlm.nih.gov/pubmed/34762267
http://dx.doi.org/10.1007/s12010-021-03716-4
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author MubarakAli, Davoodbasha
Akshaya, Thirusangu
Sathya, Raghunathan
Irfan, Navabshan
author_facet MubarakAli, Davoodbasha
Akshaya, Thirusangu
Sathya, Raghunathan
Irfan, Navabshan
author_sort MubarakAli, Davoodbasha
collection PubMed
description In the Asian region, Helicobacter pylori infects about 80% populations, which is most leading cause of peptic ulcers, and it is an asymptomatic infection. Studies reported that the particular bacteria carry specific virulence factors that leads to severe complications. These virulence factors can be used as a drug targets to inhibit their growth and pathogenicity. Chronic infection with H. pylori virulence factors are CagA, VacA and HtrA positive strains the risk factor of gastric cancer. In this study, we aimed to study the antagonistic interaction pattern between the potential eight algal peptides against the virulence factors of H. pylori through in silico analysis intended to treat peptic ulcer and prevent the further complications such as cancer. The proteins of virulent factors are docked using C-Docker algorithm and calculated the bind energy of the complexes. The results showed that the peptide derived from a green alga, Tetradesmus sp. are active against the three virulent factors such as cag-A, vac-A, and Htr-A with multiple hydrogen, vdW, electrostatic interactions, and mild π-hydrophobic bindings with the libdock energy score for CagA, VacA and HtrA are 175.625, 158.603 and 89.397 kcal/mol. These primes and the peptide lead to develop a better and potential inhibitors against H. pylori infection.
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spelling pubmed-85811252021-11-12 Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach MubarakAli, Davoodbasha Akshaya, Thirusangu Sathya, Raghunathan Irfan, Navabshan Appl Biochem Biotechnol Original Article In the Asian region, Helicobacter pylori infects about 80% populations, which is most leading cause of peptic ulcers, and it is an asymptomatic infection. Studies reported that the particular bacteria carry specific virulence factors that leads to severe complications. These virulence factors can be used as a drug targets to inhibit their growth and pathogenicity. Chronic infection with H. pylori virulence factors are CagA, VacA and HtrA positive strains the risk factor of gastric cancer. In this study, we aimed to study the antagonistic interaction pattern between the potential eight algal peptides against the virulence factors of H. pylori through in silico analysis intended to treat peptic ulcer and prevent the further complications such as cancer. The proteins of virulent factors are docked using C-Docker algorithm and calculated the bind energy of the complexes. The results showed that the peptide derived from a green alga, Tetradesmus sp. are active against the three virulent factors such as cag-A, vac-A, and Htr-A with multiple hydrogen, vdW, electrostatic interactions, and mild π-hydrophobic bindings with the libdock energy score for CagA, VacA and HtrA are 175.625, 158.603 and 89.397 kcal/mol. These primes and the peptide lead to develop a better and potential inhibitors against H. pylori infection. Springer US 2021-11-11 2022 /pmc/articles/PMC8581125/ /pubmed/34762267 http://dx.doi.org/10.1007/s12010-021-03716-4 Text en © The Author(s), under exclusive licence to Springer Science+Business Media, LLC, part of Springer Nature 2021 This article is made available via the PMC Open Access Subset for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic.
spellingShingle Original Article
MubarakAli, Davoodbasha
Akshaya, Thirusangu
Sathya, Raghunathan
Irfan, Navabshan
Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach
title Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach
title_full Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach
title_fullStr Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach
title_full_unstemmed Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach
title_short Study on the Interaction of Algal Peptides on Virulence Factors of Helicobacter pylori: In Silico Approach
title_sort study on the interaction of algal peptides on virulence factors of helicobacter pylori: in silico approach
topic Original Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8581125/
https://www.ncbi.nlm.nih.gov/pubmed/34762267
http://dx.doi.org/10.1007/s12010-021-03716-4
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